isoleucyl-valyl-tyrosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 3
PubChem 11223118
Molecular Formula

C20H31N3O5

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)N

InChI

InChI=1S/C20H31N3O5/c1-5-12(4)16(21)18(25)23-17(11(2)3)19(26)22-15(20(27)28)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1

synonyms
  • Ile-Val-Tyr
  • CHEMBL188747
  • (2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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Properties
Property Value
MW 393.5 g/mol
HBD 5
HBA 6
Rotatable Bond Count 10
Exact Mass 393.22637110 g/mol
Monoisotopic Mass 393.22637110 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 532
xlogp -1.8
Topological Polar Surface Area 142